1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea

C20H21ClN4O3 — CID 22577951

IUPAC1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea
SMILESCOCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H21ClN4O3/c1-27-10-9-25-18(14-5-3-8-17(11-14)28-2)13-22-19(25)24-20(26)23-16-7-4-6-15(21)12-16/h3-8,11-13H,9-10H2,1-2H3,(H2,22,23,24,26)
InChIKeyLARYWSUOHWENLP-UHFFFAOYSA-N
MW400.87 g/mol
LogP4.50
Rot. Bonds7

About 1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea

1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea (PubChem CID 22577951) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea
PubChem CID22577951
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea
SMILESCOCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H21ClN4O3/c1-27-10-9-25-18(14-5-3-8-17(11-14)28-2)13-22-19(25)24-20(26)23-16-7-4-6-15(21)12-16/h3-8,11-13H,9-10H2,1-2H3,(H2,22,23,24,26)
InChIKeyLARYWSUOHWENLP-UHFFFAOYSA-N
XLogP4.50
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]-3-phenylurea
CID 22577953
1-(3-ethoxypropyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea
CID 22577970
1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea
CID 22577946
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(5-chloro-3-pyridinyl)-3-(3-methoxyphenyl)urea
CID 35290961
N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963631
4-chloro-2-[[[1-(2-methoxyethyl)-5-phenylimidazol-2-yl]amino]methyl]phenol;oxalic acid
CID 163327011
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
1-(3-chlorophenyl)-3-(4-hydroxy-5-methoxy-1-methylimidazol-2-yl)urea
CID 54354899
5-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 126468009
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-(3-methoxyphenyl)urea
CID 162429378
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 55910965

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea (CID 22577951) is 1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea is COCCn1c(-c2cccc(OC)c2)cnc1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea?
The InChIKey is LARYWSUOHWENLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-27-10-9-25-18(14-5-3-8-17(11-14)28-2)13-22-19(25)24-20(26)23-16-7-4-6-15(21)12-16/h3-8,11-13H,9-10H2,1-2H3,(H2,22,23,24,26).
What are the key properties of 1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea?
1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea has a molecular weight of 400.87 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[1-(2-methoxyethyl)-5-(3-methoxyphenyl)imidazol-2-yl]urea is sourced from PubChem (CID 22577951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).